SCHEMBL2595023

SCHEMBL2595023

CCC(c1ccccc1)N(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
KCNH2 Q12809 2/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
AOC3 Q16853 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 1/20 0.38
KCNA5 P22460 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
OPRD1 P41143 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL6625831 0.98 MEN1 (0.45) LMNAMEN1KMT2AALDH1A1TRPM8
Hydrochloric Acid SCHEMBL2455720 0.98 MEN1 (0.45) LMNAMEN1KMT2AALDH1A1TRPM8
Hydrochloric Acid SCHEMBL27845404 0.96 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1TRPM8
Hexane SCHEMBL28249674 0.90 KCNH2 (0.45) LMNAMEN1KMT2AALDH1A1TRPM8
Propylamine SCHEMBL28195200 0.89 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1TRPM8
Styrene SCHEMBL28018470 0.84 ALDH1A1 (0.45) LMNAMEN1KMT2AALDH1A1TRPM8
SCHEMBL28279550 0.83 LMNA (0.43) LMNATRPM8SIGMAR1HTR2AHRH1
SCHEMBL17803383 0.83 TAAR1 (0.48) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL5403210 0.83 NR1H2 (0.48) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL3730187 0.83 MEN1 (0.44) LMNAMEN1KMT2AALDH1A1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128253-A ESCALOL 567 cleans preparation method 宜都市华阳化工有限责任公司 2019-08-16 CN claimed
CN-106278861-B A method of preparing substituted phenylacetic acid 河北诚信集团有限公司 2019-05-14 CN claimed
CN-109369494-A A kind of preparation method of N- phenylacetyl group-L-PROLINE 中北大学 2019-02-22 CN claimed
CN-109320671-A The preparation of epoxy acrylic extration resin and its application in extracted germanium 辽宁大学 2019-02-12 CN claimed
CN-109161685-A A method of based on dynamic adsorption method absorption extraction germanium 辽宁大学 2019-01-08 CN claimed
CN-108409953-A A kind of epoxy acrylic resin of three-functionality-degree and its preparation method and application 广州市嵩达新材料科技有限公司 2018-08-17 CN claimed
CN-108383989-A A kind of epoxy acrylic resin and its preparation method and application of two degrees of functionality 广州市嵩达新材料科技有限公司 2018-08-10 CN claimed
CN-104588216-B Combined collector capable of increasing iron grade and decreasing silicon content and preparation method and application thereof 山东建筑大学 2017-02-22 CN claimed
CN-106278861-A A kind of method preparing substituted phenylacetic acid 河北诚信有限责任公司 2017-01-04 CN claimed
CN-104588216-A Combined collector capable of increasing iron grade and decreasing silicon content and preparation method and application thereof UNIV SHANDONG JIANZHU 2015-05-06 CN claimed
CN-100478329-C Alpha-difluoromethyl ornithine (dfmo) intermediate and processes for the production thereof BRISTOL MYERS SQUIBB CO (US) 2009-04-15 CN claimed
CN-1680293-A Processes for the production of alpha-difluoromethyl ornithine (dfmo) BRISTOL MYERS SQUIBB CO (US) 2005-10-12 CN claimed
CN-1564806-A Process for producing alpha-Difluoromethylornithine (DFMO) WOMEN FIRST HEALTHCARE INC (US) 2005-01-12 CN claimed
CN-1152018-C Process for preparing 1,3-dibenzyl imidazoline-2-ketone-cis-4, 5-dicarboxylic acid (I) 复旦大学 2004-06-02 CN claimed
CN-1434039-A Process for preparing 1,3-dibenzyl imidazoline-2-ketone-cis-4, 5-dicarboxylic acid (I) UNIV FUDAN (CN) 2003-08-06 CN claimed
CN-1006982-B SYNTHESIS OF METHOXY PVRETHRINS INST ZOOLOGY CAS (CN) 1990-02-28 CN claimed
CN-1038815-A The method for preparing Gophacide and series product thereof LIAONING CHEMICAL INST (CN) 1990-01-17 CN claimed
CN-110438521-A A kind of method of N- methyl-N- (2- cyanoethyl) aniline selectivity demethylation under electrochemical conditions UNIV SOUTH CHINA TECH 2019-11-12 CN disclosed
CN-1043500-A PYRROLE INSECTICIDES RHONE POULENC AGROCHIMIE (FR) 1990-07-04 CN disclosed
CN-1006982-B SYNTHESIS OF METHOXY PVRETHRINS INST ZOOLOGY CAS (CN) 1990-02-28 CN disclosed